Activation of O2, CO, and CO2 by Pt+: The Thermochemistry of PtO+
Activation of O2, CO, and CO2 by Pt+: The Thermochemistry of PtO+
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Pt 活化 O2、CO 和 CO2：PtO 的热化学
DOI：
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发表时间：
2003
期刊：
影响因子：
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通讯作者：
P. Armentrout
中科院分区：
文献类型：
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作者：
X. Zhang;P. Armentrout
Pt+与O2，CO和CO2的反应已被研究作为动能的函数，使用引导离子束串联质谱，以阐明PtO+产品的键能。为了进一步研究Pt+与CO 2的反应，我们还研究了PtO+与CO的逆反应以及PtCO 2+与Ar和Ar的碰撞诱导解离。除了PtO+ + CO → Pt+ + CO2和PtCO 2 + + CO2 → PtO 2 + + CO2外，所有反应的动能依赖性都表现为吸热行为。对吸热反应截面的分析得出0 K键离解能（BDE），单位为eV（kJ/mol），D 0（Pt+−O）= 3.26 ± 0.07（315 ± 7），D 0（Pt+−CO）= 2.28 ± 0.05（220 ± 5），D 0（Pt+−CO2）= 0.62 ± 0.05（60 ± 5），D 0（Pt+−C）= 5.46 ± 0.05（527 ± 5），与现有理论值相当一致。将此处测量的PtO+ BDE与文献数据相结合，也得到PtO的电离能为9.52 ± 0.25 eV。这些数据，沿着与从头计算在B3 LYP.
Reactions of Pt+ with O2, CO, and CO2 have been studied as a function of kinetic energy using guided ion beam tandem mass spectrometry in order to elucidate the bond energy of the PtO+ product. To further characterize the reaction of Pt+ with CO2, the reverse reaction of PtO+ with CO, and the collision-induced dissociation of PtCO2+ with Xe and Ar are also studied. In all cases, the kinetic energy dependences for these reactions show endothermic behavior except for PtO+ + CO → Pt+ + CO2 and PtCO2+ + Xe → PtXe+ + CO2. Analyses of the endothermic reaction cross sections yield the 0 K bond dissociation energies (BDEs) in eV (kJ/mol) of D0(Pt+−O) = 3.26 ± 0.07 (315 ± 7), D0(Pt+−CO) = 2.28 ± 0.05 (220 ± 5), D0(Pt+−CO2) = 0.62 ± 0.05 (60 ± 5), and D0(Pt+−C) = 5.46 ± 0.05 (527 ± 5), reasonably consistent with available theoretical values. Combining the PtO+ BDE measured here with literature data also yields the ionization energy of PtO as 9.52 ± 0.25 eV. These data, along with ab initio calculations at the B3LYP...